3,7-dimethyl-1-(9-oxidanylnonyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(9-oxidanylnonyl)purine-2,6-dione Openeye Name: 1-(9-hydroxynonyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(9-hydroxynonyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(9-hydroxynonyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(9-hydroxynonyl)-3,7-dimethyl-xanthine Formula: C16H26N4O3 MolecularWeight: 322.40264

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCO

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCO

InChI

InChI=1S/C16H26N4O3/c1-18-12-17-14-13(18)15(22)20(16(23)19(14)2)10-8-6-4-3-5-7-9-11-21/h12,21H,3-11H2,1-2H3